(5-bromanyl-2-methoxy-phenyl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid (5-bromo-2-methoxy-benzyl) ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C18H16BrN3O4/c1-24-15-6-5-13(19)10-12(15)11-25-17(23)8-7-16-21-18(22-26-16)14-4-2-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3